2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide

C12H19N3OS — CID 43299864

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccncc1N
InChIInChI=1S/C12H19N3OS/c1-4-12(2,3)15-11(16)8-17-10-5-6-14-7-9(10)13/h5-7H,4,8,13H2,1-3H3,(H,15,16)
InChIKeyDPPQKWXSDAXLSX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.06
Rot. Bonds5

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 43299864) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID43299864
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccncc1N
InChIInChI=1S/C12H19N3OS/c1-4-12(2,3)15-11(16)8-17-10-5-6-14-7-9(10)13/h5-7H,4,8,13H2,1-3H3,(H,15,16)
InChIKeyDPPQKWXSDAXLSX-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299575
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
methyl 4-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]butanoate
CID 43299937
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
methyl 2-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 43299696
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide (CID 43299864) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is DPPQKWXSDAXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-12(2,3)15-11(16)8-17-10-5-6-14-7-9(10)13/h5-7H,4,8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43299864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).